SCHEMBL7835600

SCHEMBL7835600

CCCCC(C(=O)O)C(C)(C)NC(=O)c1ccc(C#N)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSG P08311 8/20 0.46
CMA1 P23946 7/20 0.45
PRSS1 P07477 2/20 0.45
CTRB1 P17538 2/20 0.45
EPHX2 P34913 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MMP2 P08253 1/20 0.42
MMP3 P08254 1/20 0.42
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
SLC6A3 Q01959 1/20 0.40
MGLL Q99685 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7826783 0.96 CTSG (0.47) CTSGCMA1PRSS1CTRB1EPHX2
SCHEMBL7837208 0.93 CTSG (0.47) CTSGCMA1PRSS1CTRB1EPHX2
SCHEMBL7837709 0.87 EPHX2 (0.47) CTSGCMA1PRSS1CTRB1EPHX2
SCHEMBL7835765 0.78 MEN1 (0.49) CTSGCMA1PRSS1CTRB1EPHX2
SCHEMBL7836334 0.77 NPC1 (0.49) CTSGCMA1PRSS1CTRB1EPHX2
SCHEMBL7835603 0.76 CTSG (0.63) CTSGCMA1PRSS1CTRB1MEN1
SCHEMBL1877455 0.76 EPHX2 (0.48) CTSGCMA1PRSS1CTRB1EPHX2
SCHEMBL7837405 0.76 MEN1 (0.47) CTSGCMA1PRSS1CTRB1EPHX2
SCHEMBL507273 0.75 EPHX2 (0.55) CTSGCMA1PRSS1CTRB1EPHX2
SCHEMBL7825860 0.73 PRSS1 (0.58) CTSGCMA1PRSS1CTRB1EPHX2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0800516-B1 FIBRINOGEN RECEPTOR ANTAGONISTS HAVING SUBSTITUTED (b)-AMINO ACID RESIDUES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME NIPPON STEEL CORP (JP) 2001-09-19 EP disclosed
US-5866592-A Fibrinogen receptor antagonist and pharmaceutical compositions comprising the same NIPPON STEEL CORPORATION (JP) 1999-02-02 US disclosed